3-Mercapto-N-methylpropanamide

HCID 642906
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Basic information

CAS
52334-99-3
Standard SMILES
CNC(=O)CCS
InChIKey
VYQTZFNKSHBQKY-UHFFFAOYSA-N
Molecular formula
C4H9NOS
Average molar mass
119.19 g/mol
Monoisotopic mass
119.04048508

Names & identifiers

Preferred name
3-Mercapto-N-methylpropanamide
IUPAC
N-methyl-3-sulfanylpropanamide
English name
Propanamide, 3-mercapto-N-methyl-
Molecular formula
C4H9NOS
Molecular weight
119.19

Names & synonyms

3-Mercapto-N-methylpropanamide52334-99-3Propanamide, 3-mercapto-N-methyl-N-Methyl 3-mercaptopropionamideDTXSID20886000RefChem:94543methyl-3-mercaptopropionamideDTXCID901025351610-826-9InChI=1/C4H9NOS/c1-5-4(6)2-3-7/h7H,2-3H2,1H3,(H,5,6N-methyl-3-sulfanylpropanamide3-mercapto-N-methyl propanamide
Show more names
thiol-3 N-methylpropanamide
MFCD01756800SCHEMBL1146799SCHEMBL3896924SCHEMBL5501209N-methyl-3-sulfanyl-propanamideN-methyl-(3-mercapto)propionamiden-methyl-(3-mercapto)-propionamideAKOS006279331

Database identifiers

CAS
52334-99-3
PubChem CID
642906
DTXSID
DTXSID20886000
EC Number
610-826-9
Nikkaji
J422.600C

Properties

Computed structural properties

XLogP
-0.2
Topological polar surface area
30.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
7

Physicochemical properties

storage temp.
Sealed in dry,Room Temperature
EWG's Food Scores
1 · 1
EPA Substance Registry System
3 · Propanamide, 3-mercapto-N-methyl- (52334-99-3)
Symbol(GHS)
7 · GHS07,GHS08,GHS09
Signal word
Danger
Hazard statements
315 · H315-H319-H413-H372

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H301 (97.9%): Toxic if swallowed [Danger Acute toxicity, oral]；H312+H332 (39.4%): Harmful in contact with skin or if inhaled [Warning Acute toxicity, dermal; acute toxicity, inhalation]；H312 (97.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H332 (97.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P261, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P317, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 94 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information · 2 items

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 16-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26584

Hazard Classes and CategoriesAcute Tox. 3 (97.9%)；Acute Tox. 4 (97.9%)；Acute Tox. 4 (97.9%)

Regulatory information

Regulatory Information · 2 items

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 16-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26584

Safety data

tsca
TSCA listed
Signal word
Danger
Symbol(GHS)
GHS07,GHS08,GHS09
Hazard statements
H315-H319-H413-H372
REACH Registrations
Active
Precautionary statements
P501-P273-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPropanamide, 3-mercapto-N-methyl-: INACTIVE

Suppliers24 total

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海比阳实业有限公司+86-15021878111 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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